0 B9R1.35 CN1CCC(C(=O)O)C1 4H58-1-E4 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 4248-7-01 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 4H57-1-31 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4H57-1-S2 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 4H57-1-W9 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 4H58-5-BT [0,0,0,0,0,0|0,0,0]=0 6 B9R1.35 O=C1CC(C(=O)O)CN1 4H58-1-24 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 4H56-1-5D [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 2H25-1-S1 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.35 O=C1CC[C@H](C(=O)O)N1 4H57-1-R1 [0,0,0,0,0,0|2,0,2]=4 10 B8R1.1 CC1CCC(C=O)O1 2H15-1-25 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 NC(=O)C1CCCC1 4248-1-0J [1,0,0,0,0,0|2,0,0]=3 12 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-1-Q3 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.7 NC(=O)[C@@H]1CCCN1 4H48-5-S8 [1,0,0,0,0,0|1,0,0]=2 14 B8R1.7 O=C(Cl)C1CCCC1 2216-5-X0 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.7 O=C(Cl)C1CCOC1 2H16-5-X0 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.7 O=C(Cl)N1CCCC1 4H16-5-0R [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 O=C(O)C1=CCCC1 2421-1-01 [1,0,0,0,0,0|1,0,1]=3 18 B8R1.7 O=C(O)C1=COCC1 2H21-1-41 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.7 O=C(O)C1CC=CC1 2421-1-X0 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.7 O=C(O)C1CCNC1 4H21-1-43 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 O=C(O)C1CCOC1 2H21-1-Y0 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.7 O=C(O)C1NCCS1 8H21-1-73 [1,0,0,0,0,0|1,0,0]=2 23 B8R1.7 O=C(O)[C@@H]1CCCN1 4H57-1-V2 [1,0,0,0,0,0|0,0,0]=1 24 B8R1.7 O=C(O)[C@@H]1CCCO1 2H21-1-S1 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.7 O=C(O)[C@H]1CCCN1 4H57-1-X3 [1,0,0,0,0,0|0,0,0]=1 26 B8R1.7 O=C(O)[C@H]1CCCO1 2H21-1-R0 [1,0,0,0,0,0|1,0,0]=2 27 B8R1.7 O=C(O)[C@H]1CCNC1 4H21-1-S5 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.7 OB(O)C1CCCC1 6260-1-X0 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.14 COC(=O)C1CCC(=O)C1 2229-1-X4 [0,1,0,0,0,0|1,0,2]=4 30 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 4258-5-30 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 4H29-5-X3 [0,1,0,0,0,0|0,0,0]=1 32 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 4H29-5-X1 [0,1,0,0,0,0|0,0,0]=1 33 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 4H29-5-X2 [0,1,0,0,0,0|0,0,0]=1 34 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 4H48-7-S0 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.9 CC(=O)OCC(O)CCl 2129-5-08 [0,0,1,0,0,0|3,0,0]=4 36 B8R0.9 NCC(=O)CCC(=O)O 4157-5-07 [0,0,1,0,0,0|0,0,2]=3 37 B8R0.9 NCC(=O)NCC(=O)O 4157-1-X3 [0,0,1,0,0,0|1,0,2]=4 38 B8R0.23 CC(C)C[C@H](O)C(=O)O 2129-1-SB [0,0,1,0,0,0|2,0,0]=3 39 B8R0.23 O=C(O)C[C@@H](O)C(=O)O 2129-1-49 [0,0,1,0,0,0|2,0,1]=4 40 B8R0.28 O=C(O)CSCC(=O)O 6166-1-X2 [0,0,1,0,0,0|2,0,1]=4 41 B8R1.23 C=C1CC(C(=O)O)C1 2321-1-X3 [0,0,0,0,1,0|1,0,1]=3 42 B8R1.23 CC(=O)N1CC(N)C1 4H48-5-71 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.23 CN1CC(C(=O)O)C1 4H58-1-60 [0,0,0,0,1,0|2,0,0]=3 44 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 2229-1-Z2 [0,0,0,0,1,0|0,0,0]=1 45 B8R1.23 O=C1CC(C(=O)O)C1 P911-A-73 [0,0,0,0,1,0|0,0,2]=3 46 B10R1.13 CC(=O)N1CCC(O)CC1 4H20-1-07 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.13 CC1CCC(C(=O)O)CC1 2221-1-0A [0,0,0,0,0,1|2,0,0]=3 48 B10R1.13 CN1CCC(C(=O)O)CC1 4H21-5-Z0 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.13 CN1CCC(C(=O)O)CC1 P311-A-68 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.13 NC1CCC(C(=O)O)CC1 4257-1-03 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 4257-1-05 [0,0,0,0,0,1|2,0,0]=3 52 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 G311-A-62 [0,0,0,0,0,1|1,0,0]=2 53 B10R1.13 O=C1CCC(C(=O)O)CC1 2H29-1-01 [0,0,0,0,0,1|1,0,2]=4 54 B10R1.113 CC(=O)N1CCCC(O)C1 4H20-1-06 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.113 CN1CCCC(C(=O)O)C1 4H21-1-T0 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 4257-1-15 [0,0,0,0,0,1|2,0,0]=3 57 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [1,0,1,0,0,0|1,0,1]=4 58 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [1,0,1,0,0,0|2,0,0]=4 59 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [1,0,1,0,0,0|1,0,1]=4 60 B7R0.4 NCCCCC(=O)O 4157-1-37 [1,0,1,0,0,0|0,0,0]=2 61 B7R0.4 NCCNCC(=O)O 4158-1-1D [1,0,1,0,0,0|1,0,0]=3 62 B7R0.4 NCCOCC(=O)O 4157-1-05 [1,0,1,0,0,0|1,0,0]=3 63 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [1,0,1,0,0,0|1,0,0]=3 64 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [1,0,1,0,0,0|0,0,2]=4 65 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [1,0,1,0,0,0|0,0,0]=2 66 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [1,0,1,0,0,0|2,0,0]=4 67 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [1,0,1,0,0,0|1,0,0]=3 68 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [1,0,1,0,0,0|0,0,0]=2 69 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [1,0,1,0,0,0|2,0,0]=4 70 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [1,0,1,0,0,0|2,0,0]=4 71 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [1,0,1,0,0,0|2,0,0]=4 72 B7R1.1 N#CC1CCCN1 4H37-3-17 [2,0,0,0,0,0|1,0,1]=4 73 B7R1.1 N#C[C@@H]1CCCN1 3H37-5-0J [2,0,0,0,0,0|1,0,1]=4 74 B7R1.1 O=CC1CCOC1 2H15-1-1K [2,0,0,0,0,0|2,0,0]=4 75 B7R1.1 OCC1CCCC1 2301-1-X3 [2,0,0,0,0,0|1,0,1]=4 76 B7R1.1 OCC1CCCN1 4H01-1-95 [2,0,0,0,0,0|0,0,1]=3 77 B7R1.1 OC[C@@H]1CCCN1 4H01-1-M2 [2,0,0,0,0,0|0,0,1]=3 78 B7R1.1 OC[C@@H]1CCCO1 2H01-1-04 [2,0,0,0,0,0|1,0,1]=4 79 B7R1.1 [C@H]1(CO)CCCN1 4H56-1-L1 [2,0,0,0,0,0|0,0,1]=3 80 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [2,0,0,0,0,0|0,0,1]=3 81 B9R0.51 CCCCC(C)(C)C(=O)O 2121-1-11 [0,1,1,0,0,0|2,0,0]=4 82 B9R0.57 NC(CC(F)(F)F)C(=O)O 4157-3-03 [0,1,1,0,0,0|2,0,0]=4 83 B9R1.11 COC(=O)C1=CCCC1 2423-1-04 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.11 COC(=O)C1CCCC1 2223-1-48 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.11 COC(=O)C1CCCN1 4H23-5-03 [1,1,0,0,0,0|0,0,0]=2 86 B9R1.11 COC(=O)C1CCNC1 4H58-5-4A [1,1,0,0,0,0|2,0,0]=4 87 B9R1.11 COC(=O)C1NCCS1 8H23-5-05 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.11 COC(=O)[C@@H]1CCCN1 4H58-5-X8 [1,1,0,0,0,0|0,0,0]=2 89 B9R1.11 COC(=O)[C@H]1CCCN1 4H56-5-R5 [1,1,0,0,0,0|0,0,0]=2 90 B9R1.41 CN1CCC[C@H]1C(=O)O 4H58-1-SW [1,1,0,0,0,0|0,0,0]=2 91 B9R1.163 C[C@@]1(C(=O)O)CCCN1 4H57-5-S3 [1,1,0,0,0,0|0,0,0]=2 92 B9R1.163 C[C@]1(C(=O)O)CCCN1 4H57-5-R3 [1,1,0,0,0,0|0,0,0]=2 93 B9R1.82 COC(=O)C1CC(=O)C1 2229-1-02 [0,1,0,0,1,0|0,0,2]=4 94 B9R1.82 COC(=O)C1CC(Cl)C1 2223-5-09 [0,1,0,0,1,0|1,0,0]=3 95 B9R1.82 COC(=O)C1CC(O)C1 2229-1-28 [0,1,0,0,1,0|0,0,0]=2 96 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 2229-1-35 [0,1,0,0,1,0|0,0,0]=2 97 B9R1.164 CC1(C)CC(C(=O)O)C1 2221-1-27 [0,1,0,0,1,0|1,0,0]=3 98 B9R1.164 O=C(O)C1CC(F)(F)C1 2221-3-04 [0,1,0,0,1,0|1,0,0]=3 99 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 4257-1-18 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.22 COC(=O)C1CCC(O)CC1 2229-1-X1 [0,1,0,0,0,1|1,0,0]=3 101 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 4258-5-12 [0,1,0,0,0,1|2,0,0]=4 102 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 4258-5-02 [0,1,0,0,0,1|2,0,0]=4 103 B11R1.727 O=C(O)C1CCC(F)(F)CC1 2221-3-44 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 2221-1-Y2 [0,2,0,0,0,0|1,0,0]=3 105 B9R1.6 O=C(O)C1CCCCN1 4H57-1-W5 [0,0,1,1,0,0|1,0,0]=3 106 B9R1.6 O=C(O)C1CCCCN1 4H58-5-BW [0,0,1,1,0,0|1,0,0]=3 107 B9R1.6 O=C(O)C1CCCOC1 2H21-1-12 [0,0,1,1,0,0|1,0,0]=3 108 B9R1.6 O=C(O)C1CNCCO1 4H58-5-8Y [0,0,1,1,0,0|2,0,0]=4 109 B9R1.6 O=C(O)C1CSCCN1 8H21-1-Y5 [0,0,1,1,0,0|0,1,0]=3 110 B9R1.6 O=C(O)[C@@H]1CCCNC1 4H21-1-XV [0,0,1,1,0,0|2,0,0]=4 111 B9R1.6 O=C(O)[C@@H]1CNCCN1 4H21-1-S2 [0,0,1,1,0,0|1,0,0]=3 112 B9R1.6 O=C(O)[C@@H]1CNCCN1 G311-A-13 [0,0,1,1,0,0|1,0,0]=3 113 B9R1.6 O=C(O)[C@H]1CCCCN1 4H58-1-RE [0,0,1,1,0,0|1,0,0]=3 114 B9R1.6 O=C(O)[C@H]1CNCCN1 4H21-5-Z4 [0,0,1,1,0,0|1,0,0]=3 115 B9R1.6 O=C(O)[C@H]1CNCCO1 4H58-5-RA [0,0,1,1,0,0|2,0,0]=4 116 B9R1.6 O=C(O)[C@H]1COCCN1 4H58-5-R9 [0,0,1,1,0,0|0,0,0]=2 117 B11R2.845 O=C(O)C1CC2CCC1C2 2221-1-X5 [0,0,0,1,0,1|2,0,0]=4 118 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [0,0,1,0,1,0|2,0,0]=4 119 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [0,0,1,0,1,0|1,0,0]=3 120 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [0,0,1,0,1,0|0,0,0]=2 121 B7R1.18 N=C(N)C1CCC1 3241-5-X0 [1,0,0,0,1,0|2,0,0]=4 122 B7R1.18 O=C(Cl)C1CCC1 2216-5-03 [1,0,0,0,1,0|1,0,0]=3 123 B7R1.18 O=C(O)C1CNC1 P911-A-52 [1,0,0,0,1,0|1,0,0]=3 124 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [1,0,0,0,1,0|0,0,0]=2 125 B7R1.12 O=C(O)C1CC1F 2221-3-0B [0,0,0,0,2,0|1,0,0]=3 126 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [0,0,0,0,2,0|1,0,0]=3 127 B9R1.13 O=C(Cl)OC1CCCC1 2223-5-X0 [1,0,0,0,0,1|2,0,0]=4 128 B9R1.13 O=C(O)CC1CCCC1 2221-1-Y3 [1,0,0,0,0,1|1,0,0]=3 129 B9R1.13 O=C(O)CN1CCCC1 4H21-5-Z6 [1,0,0,0,0,1|2,0,0]=4